3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile

C15H21FN2 — CID 62647610

IUPAC3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
SMILESCCCCC(NCC(C)C#N)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2/c1-3-4-5-15(18-11-12(2)10-17)13-6-8-14(16)9-7-13/h6-9,12,15,18H,3-5,11H2,1-2H3
InChIKeyYVVOKKWLBSZGJQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.81
Rot. Bonds7

About 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile

3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile (PubChem CID 62647610) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
PubChem CID62647610
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
SMILESCCCCC(NCC(C)C#N)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2/c1-3-4-5-15(18-11-12(2)10-17)13-6-8-14(16)9-7-13/h6-9,12,15,18H,3-5,11H2,1-2H3
InChIKeyYVVOKKWLBSZGJQ-UHFFFAOYSA-N
XLogP3.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
CID 103778683
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
1-[[1-(4-fluorophenyl)pentylamino]methyl]cyclopentan-1-ol
CID 65105165
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
CID 43100534
1-(4-fluorophenyl)-N-(3-methylsulfinylpropyl)pentan-1-amine
CID 115721013

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile (CID 62647610) is 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile is CCCCC(NCC(C)C#N)c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile?
The InChIKey is YVVOKKWLBSZGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-3-4-5-15(18-11-12(2)10-17)13-6-8-14(16)9-7-13/h6-9,12,15,18H,3-5,11H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile?
3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile has a molecular weight of 248.35 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile is sourced from PubChem (CID 62647610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).